D301-0141 Screening compound: 2-{5-[(4-chlorophenoxy)methyl]furan-2-yl}-5-[(4-ethoxyphenyl)amino]-1,3-oxazole-4-carbonitrile

D301-0141 Screening compound: 2-{5-[(4-chlorophenoxy)methyl]furan-2-yl}-5-[(4-ethoxyphenyl)amino]-1,3-oxazole-4-carbonitrile
D301-0141 Screening compound: 2-{5-[(4-chlorophenoxy)methyl]furan-2-yl}-5-[(4-ethoxyphenyl)amino]-1,3-oxazole-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound D301-0141
2-{5-[(4-chlorophenoxy)methyl]furan-2-yl}-5-[(4-ethoxyphenyl)amino]-1,3-oxazole-4-carbonitrile

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

D301-0141

Molecular Formula

C23H18ClN3O4 (C23 H18 ClN3 O4)

Compound Name

2-{5-[(4-chlorophenoxy)methyl]furan-2-yl}-5-[(4-ethoxyphenyl)amino]-1,3-oxazole-4-carbonitrile

IUPAC name

2-{5-[(4-chlorophenoxy)methyl]furan-2-yl}-5-[(4-ethoxyphenyl)amino]-13-oxazole-4-carbonitrile

SMILES

CCOc(cc1)ccc1Nc1c(C#N)nc(-c2ccc(COc(cc3)ccc3Cl)o2)o1

InChI

InChI=1S/C23H18ClN3O4/c1-2-28-17-9-5-16(6-10-17)26-22-20(13-25)27-23(31-22)21-12-11-19(30-21)14-29-18-7-3-15(24)4-8-18/h3-12,26H,2,14H2,1H3

InChI Key

WRXVQXAIOSWQKY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09250406

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.87

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.762

Distribution Coefficient, logD

5.762

Water Solubility, LogSw

-6.04

Polar Surface Area

67.148

Acid Dissociation Constant (pKa)

16.63

Base Dissociation Constant (pKb)

-4.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

D301-0141 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D301-0141 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D301-0141?
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What is the minimum amount of D301-0141 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D301-0141
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D301-0141
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of D301-0141 available by request